SCHEMBL15958724

SCHEMBL15958724

CC1(C)CC(O[SiH3])CC(C)(C)N1O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12259035 0.80 GAA (0.46) GAAL3MBTL1HTTKDM4EALDH1A1
SCHEMBL18560467 0.78 GAA (0.44) GAAL3MBTL1HTTKDM4EALDH1A1
SCHEMBL271984 0.78 GAA (0.44) GAAL3MBTL1HTTKDM4EALDH1A1
SCHEMBL696671 0.76 GAA (0.43) GAAL3MBTL1HTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4555102 0.76 GAA (0.43) GAAL3MBTL1HTTKDM4EALDH1A1
SCHEMBL18627275 0.76 GAA (0.43) GAAL3MBTL1HTTKDM4EALDH1A1
SCHEMBL12923768 0.74 GAA (0.41) GAAL3MBTL1HTT
SCHEMBL13120887 0.74 GAA (0.41) GAAL3MBTL1HTTALDH1A1ALOX15
SCHEMBL1557996 0.74 GAA (0.41) GAAL3MBTL1HTT
SCHEMBL20095089 0.74 GAA (0.41) GAAL3MBTL1HTTKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8808655-B2 Bifunctional active sites for adsorption of NOx THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-19 US disclosed